1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide

C25H29BrN4O2 — CID 43932961

IUPAC1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccc(Br)cc4)no3)C2)cc1
InChIInChI=1S/C25H29BrN4O2/c1-2-3-5-18-7-13-22(14-8-18)27-25(31)20-6-4-15-30(16-20)17-23-28-24(29-32-23)19-9-11-21(26)12-10-19/h7-14,20H,2-6,15-17H2,1H3,(H,27,31)
InChIKeyGVDHCRBUAFFNIH-UHFFFAOYSA-N
MW497.44 g/mol
LogP5.69
Rot. Bonds8

About 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide (PubChem CID 43932961) has the molecular formula C25H29BrN4O2 and a molecular weight of 497.44 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide
PubChem CID43932961
Molecular FormulaC25H29BrN4O2
Molecular Weight497.44 g/mol
Exact Mass496.15
IUPAC Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccc(Br)cc4)no3)C2)cc1
InChIInChI=1S/C25H29BrN4O2/c1-2-3-5-18-7-13-22(14-8-18)27-25(31)20-6-4-15-30(16-20)17-23-28-24(29-32-23)19-9-11-21(26)12-10-19/h7-14,20H,2-6,15-17H2,1H3,(H,27,31)
InChIKeyGVDHCRBUAFFNIH-UHFFFAOYSA-N
XLogP5.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933384
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43932822
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809
N-(4-bromo-3-methylphenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932883
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 43932933
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 38147330
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-3-carboxamide
CID 43933201
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43932890
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43932819
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 43933138

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide (CID 43932961) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide is CCCCc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccc(Br)cc4)no3)C2)cc1.
What is the InChIKey of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide?
The InChIKey is GVDHCRBUAFFNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O2/c1-2-3-5-18-7-13-22(14-8-18)27-25(31)20-6-4-15-30(16-20)17-23-28-24(29-32-23)19-9-11-21(26)12-10-19/h7-14,20H,2-6,15-17H2,1H3,(H,27,31).
What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide?
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide has a molecular weight of 497.44 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43932961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).